Computational Protein Design for COVID-19 Research and Emerging Therapeutics
Sign Up to like & getrecommendations! Published in 2023 at "ACS Central Science"
DOI: 10.1021/acscentsci.2c01513
Abstract: As the world struggles with the ongoing COVID-19 pandemic, unprecedented obstacles have continuously been traversed as new SARS-CoV-2 variants continually emerge. Infectious disease outbreaks are unavoidable, but the knowledge gained from the successes and failures… read more here.
Keywords: computational protein; protein design; design covid; covid research ... See more keywords
A structural homology approach for computational protein design with flexible backbone
Sign Up to like & getrecommendations! Published in 2019 at "Bioinformatics"
DOI: 10.1093/bioinformatics/bty975
Abstract: Motivation Structure-based Computational Protein design (CPD) plays a critical role in advancing the field of protein engineering. Using an all-atom energy function, CPD tries to identify amino acid sequences that fold into a target structure… read more here.
Keywords: protein; computational protein; protein design; sequence ... See more keywords
Concerns with computational protein engineering programmes IPRO and OptMAVEn and metabolic pathway engineering programme optStoic
Sign Up to like & getrecommendations! Published in 2021 at "Open Biology"
DOI: 10.1098/rsob.200173
Abstract: It has become customary in engineering to require a modelling component in research endeavours. In addition, as the code for these models becomes more byzantine in complexity, it is difficult for reviewers and readers to… read more here.
Keywords: engineering; metabolic pathway; protein engineering; ipro optmaven ... See more keywords
Computational protein design repurposed to explore enzyme vitality and help predict antibiotic resistance
Sign Up to like & getrecommendations! Published in 2023 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2022.905588
Abstract: In response to antibiotics that inhibit a bacterial enzyme, resistance mutations inevitably arise. Predicting them ahead of time would aid target selection and drug design. The simplest resistance mechanism would be to reduce antibiotic binding… read more here.
Keywords: protein design; enzyme vitality; vitality; computational protein ... See more keywords